SCHEMBL629569

SCHEMBL629569

CCCCN(C#CC(I)I)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA9 Q16790 2/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP8 P22894 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5145197 0.77 CA12 (0.38) CA12CA1CA9MMP1MMP2
SCHEMBL168928 0.76 CA12 (0.34) CA12CA1CA9MMP1MMP2
SCHEMBL1400993 0.72 CA12 (0.40) CA12CA1CA9MMP1MMP2
SCHEMBL10953437 0.71 CA12 (0.39) CA12CA1CA9MMP1MMP2
SCHEMBL29353408 0.70 EPHX2 (0.34)
SCHEMBL29876681 0.70 EPHX2 (0.34)
SCHEMBL28041462 0.68
SCHEMBL1400991 0.67 AKR1B1 (0.39)
SCHEMBL8253430 0.66 ZDHHC20 (0.42)
SCHEMBL1401294 0.66 GPR84 (0.41)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3116469-B1 SKIN LIGHTENING COMPOSITIONS MARY KAY INC (US) 2018-10-03 EP claimed
EP-1992227-B1 Stabilized fluids ROHM & HAAS (US) 2015-09-23 EP claimed
EP-1882730-B1 System cleaner concentrate AIR LIQUIDE SANTE INT (FR) 2012-02-22 EP claimed